1-[[(2S,3S)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341455 reference chebi:108660 formula C34H43N5O5 global charge 0 mol weight 601.748 InChIKey DNNIAXRFSGYFCB-ZTNZZFSWSA-N InChI InChI=1S/C34H43N5O5/c1-22-19-39(23(2)21-40)32(41)27-16-10-18-29(36-33(42)35-25-13-5-4-6-14-25)31(27)44-30(22)20-38(3)34(43)37-28-17-9-12-24-11-7-8-15-26(24)28/h7-12,15-18,22-23,25,30,40H,4-6,13-14,19-21H2,1-3H3,(H,37,43)(H2,35,36,42)/t22-,23-,30+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)C(=O)NC1=CC=CC3=CC=CC=C31)C(NC(=O)NC1CCCCC1)=CC=C2 MNX internals InChI (mnx) InChI=1/C34H43N5O5/c1-22-19-39(23(2)21-40)32(41)27-16-10-18-29(36-33(42)35-25-13-5-4-6-14-25)31(27)44-30(22)20-38(3)34(43)37-28-17-9-12-24-11-7-8-15-26(24)28/h7-12,15-18,22-23,25,30,40H,4-6,13-14,19-21H2,1-3H3,(H,37,43)(H2,35,36,42)/t22-,23-,30+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:19][N:39]([C@@H:23]([CH3:2])[CH2:21][OH:40])[C:32](=[O:41])[C:27]2=[C:31]([C:29]([NH:36][C:33](=[N:35][CH:25]3[CH2:13][CH2:5][CH2:4][CH2:6][CH2:14]3)[OH:42])=[CH:18][CH:10]=[CH:16]2)[O:44][C@@H:30]1[CH2:20][N:38]([CH3:3])[C:34](=[N:37][C:28]1=[CH:17][CH:9]=[CH:12][C:24]2=[CH:11][CH:7]=[CH:8][CH:15]=[C:26]21)[OH:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0